SCHEMBL25397943

SCHEMBL25397943

CCC(OS(C)(=O)=O)(C(=O)O)c1cn(Cc2ccccc2)nn1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ CYP19A1 P11511 7/20 0.42
▸ PTGS2 P35354 1/20 0.40
▸ HSP90AB1 P08238 1/20 0.39
▸ ALOX5 P09917 5/20 0.39
▸ KCNH2 Q12809 4/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25391696 0.77 ALDH1A1 (0.52) ALDH1A1LMNACYP19A1HSP90AB1ALOX5
SCHEMBL18925197 0.72 CYP19A1 (0.55) ALDH1A1LMNACYP19A1PTGS2ALOX5
SCHEMBL2193198 0.70 CYP19A1 (0.53) ALDH1A1LMNACYP19A1HSP90AB1ALOX5
SCHEMBL12203590 0.70 CYP19A1 (0.56) ALDH1A1LMNACYP19A1HSP90AB1NPC1
SCHEMBL937308 0.70 CYP19A1 (0.56) ALDH1A1LMNACYP19A1HSP90AB1MEN1
SCHEMBL29230705 0.70 ALDH1A1 (0.49) ALDH1A1LMNACYP19A1PTGS2HSP90AB1
SCHEMBL15055622 0.69 ALDH1A1 (0.52) ALDH1A1LMNACYP19A1HSP90AB1MEN1
SCHEMBL23038469 0.69 ALDH1A1 (0.52) ALDH1A1LMNACYP19A1PTGS2HSP90AB1
SCHEMBL25836759 0.68 ALDH1A1 (0.51) ALDH1A1LMNACYP19A1PTGS2HSP90AB1
SCHEMBL25397946 0.68 ALDH1A1 (0.60) ALDH1A1LMNACYP19A1PTGS2MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230287009-A1 OXO-SUBSTITUTED COMPOUND Sumitomo Pharma Co., Ltd. (JP) 2023-09-14 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230287009-A1 OXO-SUBSTITUTED COMPOUND CYP51A1, OXA1L, O60361 ALDH1A1 473/4885LMNA 1484/4885CYP19A1 434/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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